| SpectraBase Compound ID | CJrm4coVPWH |
|---|---|
| InChI | InChI=1S/C10H9BrF3NO/c11-8-3-1-7(2-4-8)5-6-15-9(16)10(12,13)14/h1-4H,5-6H2,(H,15,16) |
| InChIKey | XAKFWLUJFBCJBD-UHFFFAOYSA-N |
| Mol Weight | 296.09 g/mol |
| Molecular Formula | C10H9BrF3NO |
| Exact Mass | 294.981961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CA9wnVbwP8H |
|---|---|
| Name | 4-Bromophenethylamine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.981961402 u |
| Formula | C10H9BrF3NO |
| InChI | InChI=1S/C10H9BrF3NO/c11-8-3-1-7(2-4-8)5-6-15-9(16)10(12,13)14/h1-4H,5-6H2,(H,15,16) |
| InChIKey | XAKFWLUJFBCJBD-UHFFFAOYSA-N |
| Molecular Weight | 296.087 g/mol |
| SMILES | C(C(NCCC=1C=CC(=CC1)Br)=O)(F)(F)F |